3,3-Diethoxy-Propionic Acid - ≥95% , CAS No.6191-97-5

CAS: 6191-97-5 Cat. No.: D304170 Summenformel: C₇H₁₄O₄ Molekulargewicht: 162.18 EG-Nummer: 818-386-1

GRADE & PURITY ≥95%

Synonyms

GS-5677 | DTXSID00328918 | AKOS006292230 | SCHEMBL202165 | EN300-142658 | 3,3-diethoxypropanoic acid | 3,3-diethoxypropanoicacid | SY108752 | MFCD06208054 | AKTDHHFJFNIILG-UHFFFAOYSA-N | FT-0691956 | Z1198167137 | 3,3-diethoxypropionic acid | 3,3-dietho-x

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyme

GS-5677 | DTXSID00328918 | AKOS006292230 | SCHEMBL202165 | EN300-142658 | 3,3-diethoxypropanoic acid | 3,3-diethoxypropanoicacid | SY108752 | MFCD06208054 | AKTDHHFJFNIILG-UHFFFAOYSA-N | FT-0691956 | Z1198167137 | 3,3-diethoxypropionic acid | 3,3-dietho-x

Spezifikationen & Reinheit

≥95%

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥95%

Namen und Kennungen

• Kanonisches Lächeln: CCOC(CC(=O)O)OCC
• IUPAC Name: 3,3-diethoxypropanoic acid
• InChIKey: AKTDHHFJFNIILG-UHFFFAOYSA-N
• INCHI: 1S/C7H14O4/c1-3-10-7(11-4-2)5-6(8)9/h7H,3-5H2,1-2H3,(H,8,9)
• Isomere SMILES: CCOC(CC(=O)O)OCC
• Molekulargewicht: 162.18
• Reaxy-Rn: 1705284
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1705284&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Carboxylic acids and derivatives
      • Subclass Carboxylic acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Carboxylic acids and derivatives
• Subclass: Carboxylic acids
• Intermediate Tree Nodes: Not available
• Direct Parent: Carboxylic acids
• Alternative Parents: Monocarboxylic acids and derivatives Acetals Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Monocarboxylic acid or derivatives - Carboxylic acid - Acetal - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as carboxylic acids. These are compounds containing a carboxylic acid group with the formula -C(=O)OH.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemische und physikalische Eigenschaften

• Molekulargewicht: 162.180 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 162.089 Da
• Monoisotopic Mass: 162.089 Da
• Topological Polar Surface Area: 55.800 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 107.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1